3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromo-4-methoxy-benzyl)thio]-5-(3-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H14BrFN4OS MolecularWeight: 409.275963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)F)Br

InChI

InChI=1S/C16H14BrFN4OS/c1-23-14-6-5-10(7-13(14)17)9-24-16-21-20-15(22(16)19)11-3-2-4-12(18)8-11/h2-8H,9,19H2,1H3